LDA+U potential added for atom type 1 L= 2 spin up ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe :e__0001: OVERALL ENERGY PARAMETER IS 0.4029 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.3310 APW+lo :E0_0001: E( 0)= -5.7640 E(BOTTOM)= -5.772 E(TOP)= -5.756 LOCAL ORBITAL :E1_0001: E( 1)= 0.4390 APW+lo :E1_0001: E( 1)= -3.2850 E(BOTTOM)= -3.309 E(TOP)= -3.261 LOCAL ORBITAL :E2_0001: E( 2)= 0.5080 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Sb :e__0002: OVERALL ENERGY PARAMETER IS 0.4029 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.3790 APW+lo :E0_0002: E( 0)= -0.0850 LOCAL ORBITAL :E1_0002: E( 1)= 0.4130 APW+lo :E1_0002: E( 1)= -6.5150 E(BOTTOM)= -6.537 E(TOP)= -6.493 LOCAL ORBITAL :E2_0002: E( 2)= 0.4760 APW+lo :E2_0002: E( 2)= -1.5040 LOCAL ORBITAL K= 0.29116 0.00000 0.00000 :RKM : MATRIX SIZE 704LOs: 98 RKM= 7.99 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141090 -6.5140832 -6.5140609 -6.5140566 -6.5119929 :EIG00006: -6.5119868 -6.5116765 -6.5116654 -6.5045826 -6.5045803 :EIG00011: -6.5045417 -6.5044740 -5.7619227 -5.7619189 -3.3037077 :EIG00016: -3.3036995 -3.2772278 -3.2772258 -3.2565218 -3.2565204 :EIG00021: -1.5163681 -1.5159333 -1.5102805 -1.5100521 -1.5087719 :EIG00026: -1.5079275 -1.5055098 -1.5050075 -1.5036947 -1.5034149 :EIG00031: -1.5025735 -1.5020445 -1.5019811 -1.5019485 -1.5012470 :EIG00036: -1.5010043 -1.4994335 -1.4989943 -1.4968904 -1.4964674 :EIG00041: -0.2970832 -0.1794071 -0.0929707 -0.0832900 0.1939984 :EIG00046: 0.2276081 0.2903463 0.4621430 0.4637149 0.4974635 :EIG00051: 0.4993315 0.4996431 0.5081229 0.5127383 0.5327156 :EIG00056: 0.5337854 0.5549308 0.5697055 0.7298709 0.7921081 :EIG00061: 0.7928120 0.8693476 0.9134323 0.9515333 0.9781851 :EIG00066: 1.0152254 1.0423046 1.0429620 1.1378616 1.1623688 :EIG00071: 1.1909387 1.2212890 1.2960746 1.3932904 1.3955184 :EIG00076: 1.4141587 1.4476084 1.4753447 1.4756951 1.4822608 :EIG00081: 1.5208937 1.5659766 1.6428164 1.7337253 1.7436927 :EIG00086: 1.7457339 1.7623991 1.7792678 1.8267190 1.8352745 :EIG00091: 1.8768674 1.8974402 1.9176191 1.9877841 1.9879303 ******************************************************** :KPT : NUMBER OF K-POINTS: 499